[2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenylbutanoate

Systemtic Name: [2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenylbutanoate Openeye Name: [2-(2-iodoanilino)-2-oxo-ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [2-(2-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-iodoanilino)-2-oxoethyl] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-(2-iodoanilino)-2-keto-ethyl] ester Formula: C18H18INO3 MolecularWeight: 423.24489

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC1=CC=CC=C1I)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)OCC(=O)NC1=CC=CC=C1I)C2=CC=CC=C2

InChI

InChI=1S/C18H18INO3/c1-13(14-7-3-2-4-8-14)11-18(22)23-12-17(21)20-16-10-6-5-9-15(16)19/h2-10,13H,11-12H2,1H3,(H,20,21)